1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine

C11H13N3O2 — CID 71401110

IUPAC1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine
SMILESO=[N+]([O-])c1ccc(C=NN2CCCC2)cc1
InChIInChI=1S/C11H13N3O2/c15-14(16)11-5-3-10(4-6-11)9-12-13-7-1-2-8-13/h3-6,9H,1-2,7-8H2
InChIKeyRLMUDGKNYDGFKD-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.02
Rot. Bonds3

About 1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine

1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine (PubChem CID 71401110) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine
PubChem CID71401110
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine
SMILESO=[N+]([O-])c1ccc(C=NN2CCCC2)cc1
InChIInChI=1S/C11H13N3O2/c15-14(16)11-5-3-10(4-6-11)9-12-13-7-1-2-8-13/h3-6,9H,1-2,7-8H2
InChIKeyRLMUDGKNYDGFKD-UHFFFAOYSA-N
XLogP2.02
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylpiperazin-4-ium-1-yl)-1-(4-nitrophenyl)methanimine
CID 2168889
N-(4-benzylpiperazin-1-yl)-1-(4-nitrophenyl)methanimine
CID 781474
(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-nitrophenyl)methanimine
CID 7387962
N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-nitrophenyl)methanimine
CID 1110806
4-(piperidin-1-yliminomethyl)benzonitrile
CID 2391650
(1R,2S,6R,7R,8S,10S)-4-[(E)-(4-nitrophenyl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98072241
(1S,2R,6R,7S,8S,10R)-4-[(4-nitrophenyl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124753408
(Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine
CID 5403502
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
1-(4-nitrophenyl)-N-trimethylsilylmethanimine
CID 71350619
(Z)-1-[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]-N-morpholin-4-ylmethanimine
CID 9143313
(E)-1-(2-chloro-5-nitrophenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 170978138

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine?
The IUPAC name of 1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine (CID 71401110) is 1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for 1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine?
The canonical SMILES for 1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine is O=[N+]([O-])c1ccc(C=NN2CCCC2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine?
The InChIKey is RLMUDGKNYDGFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-14(16)11-5-3-10(4-6-11)9-12-13-7-1-2-8-13/h3-6,9H,1-2,7-8H2.
What are the key properties of 1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine?
1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine has a molecular weight of 219.24 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 71401110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).